2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]ethanamide

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]ethanamide Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C)C

InChI

InChI=1S/C22H31N5O2/c1-17-14-18(2)19(3)20(15-17)29-13-5-8-23-21(28)16-26-9-11-27(12-10-26)22-24-6-4-7-25-22/h4,6-7,14-15H,5,8-13,16H2,1-3H3,(H,23,28)/p+1